Make cl_nbparam into a struct

[alexxy/gromacs.git] / src / gromacs / nbnxm / opencl / nbnxm_ocl_data_mgmt.cpp

diff --git a/src/gromacs/nbnxm/opencl/nbnxm_ocl_data_mgmt.cpp b/src/gromacs/nbnxm/opencl/nbnxm_ocl_data_mgmt.cpp
index ce17f8152f935f031acfce823239bd28c4d3ab71..766789b930df1da68dfd5ee918be3f85f6f47d8c 100644 (file)
--- a/src/gromacs/nbnxm/opencl/nbnxm_ocl_data_mgmt.cpp
+++ b/src/gromacs/nbnxm/opencl/nbnxm_ocl_data_mgmt.cpp
@@ -105,20 +105,20 @@ static unsigned int gpu_min_ci_balanced_factor = 50;
  * table.
  */
 static void init_ewald_coulomb_force_table(const EwaldCorrectionTables& tables,
-                                           cl_nbparam_t*                nbp,
+                                           NBParamGpu*                  nbp,
                                            const DeviceContext&         deviceContext)
 {
-    if (nbp->coulomb_tab_climg2d != nullptr)
+    if (nbp->coulomb_tab != nullptr)
     {
-        freeDeviceBuffer(&(nbp->coulomb_tab_climg2d));
+        freeDeviceBuffer(&(nbp->coulomb_tab));
     }
 
     DeviceBuffer<real> coulomb_tab;
 
     initParamLookupTable(&coulomb_tab, nullptr, tables.tableF.data(), tables.tableF.size(), deviceContext);
 
-    nbp->coulomb_tab_climg2d = coulomb_tab;
-    nbp->coulomb_tab_scale   = tables.scale;
+    nbp->coulomb_tab       = coulomb_tab;
+    nbp->coulomb_tab_scale = tables.scale;
 }
 
 
@@ -148,7 +148,7 @@ static void init_atomdata_first(cl_atomdata_t* ad, int ntypes, const DeviceConte
 
 /*! \brief Copies all parameters related to the cut-off from ic to nbp
  */
-static void set_cutoff_parameters(cl_nbparam_t* nbp, const interaction_const_t* ic, const PairlistParams& listParams)
+static void set_cutoff_parameters(NBParamGpu* nbp, const interaction_const_t* ic, const PairlistParams& listParams)
 {
     nbp->ewald_beta        = ic->ewaldcoeff_q;
     nbp->sh_ewald          = ic->sh_ewald;
@@ -244,7 +244,7 @@ static void map_interaction_types_to_gpu_kernel_flavors(const interaction_const_
 
 /*! \brief Initializes the nonbonded parameter data structure.
  */
-static void init_nbparam(cl_nbparam_t*                   nbp,
+static void init_nbparam(NBParamGpu*                     nbp,
                          const interaction_const_t*      ic,
                          const PairlistParams&           listParams,
                          const nbnxn_atomdata_t::Params& nbatParams,
@@ -266,7 +266,7 @@ static void init_nbparam(cl_nbparam_t*                   nbp,
         }
     }
     /* generate table for PME */
-    nbp->coulomb_tab_climg2d = nullptr;
+    nbp->coulomb_tab = nullptr;
     if (nbp->eeltype == eelTypeEWALD_TAB || nbp->eeltype == eelTypeEWALD_TAB_TWIN)
     {
         GMX_RELEASE_ASSERT(ic->coulombEwaldTables, "Need valid Coulomb Ewald correction tables");
@@ -274,7 +274,7 @@ static void init_nbparam(cl_nbparam_t*                   nbp,
     }
     else
     {
-        allocateDeviceBuffer(&nbp->coulomb_tab_climg2d, 1, deviceContext);
+        allocateDeviceBuffer(&nbp->coulomb_tab, 1, deviceContext);
     }
 
     const int nnbfp      = 2 * nbatParams.numTypes * nbatParams.numTypes;
@@ -284,13 +284,13 @@ static void init_nbparam(cl_nbparam_t*                   nbp,
         /* set up LJ parameter lookup table */
         DeviceBuffer<real> nbfp;
         initParamLookupTable(&nbfp, nullptr, nbatParams.nbfp.data(), nnbfp, deviceContext);
-        nbp->nbfp_climg2d = nbfp;
+        nbp->nbfp = nbfp;
 
         if (ic->vdwtype == evdwPME)
         {
             DeviceBuffer<float> nbfp_comb;
             initParamLookupTable(&nbfp_comb, nullptr, nbatParams.nbfp_comb.data(), nnbfp_comb, deviceContext);
-            nbp->nbfp_comb_climg2d = nbfp_comb;
+            nbp->nbfp_comb = nbfp_comb;
         }
     }
 }
@@ -302,8 +302,8 @@ void gpu_pme_loadbal_update_param(const nonbonded_verlet_t* nbv, const interacti
     {
         return;
     }
-    NbnxmGpu*     nb  = nbv->gpu_nbv;
-    cl_nbparam_t* nbp = nb->nbparam;
+    NbnxmGpu*   nb  = nbv->gpu_nbv;
+    NBParamGpu* nbp = nb->nbparam;
 
     set_cutoff_parameters(nbp, ic, nbv->pairlistSets().params());
 
@@ -444,7 +444,7 @@ static void nbnxn_gpu_init_kernels(NbnxmGpu* nb)
  *  clears e/fshift output buffers.
  */
 static void nbnxn_ocl_init_const(cl_atomdata_t*                  atomData,
-                                 cl_nbparam_t*                   nbParams,
+                                 NBParamGpu*                     nbParams,
                                  const interaction_const_t*      ic,
                                  const PairlistParams&           listParams,
                                  const nbnxn_atomdata_t::Params& nbatParams,
@@ -825,9 +825,9 @@ void gpu_free(NbnxmGpu* nb)
     sfree(nb->atdat);
 
     /* Free nbparam */
-    freeDeviceBuffer(&(nb->nbparam->nbfp_climg2d));
-    freeDeviceBuffer(&(nb->nbparam->nbfp_comb_climg2d));
-    freeDeviceBuffer(&(nb->nbparam->coulomb_tab_climg2d));
+    freeDeviceBuffer(&(nb->nbparam->nbfp));
+    freeDeviceBuffer(&(nb->nbparam->nbfp_comb));
+    freeDeviceBuffer(&(nb->nbparam->coulomb_tab));
     sfree(nb->nbparam);
 
     /* Free plist */